Molecular Properties | |
SMILES: | O=C(NC(=O)C1CCC(c2nnc3n2CCNC3)O1)c1cncnc1 |
MW: | 343.14 |
Fraction sp3: | 0.47 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 123.92 |
cLogP: | -0.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-be9ff7d2-74
0.463
MAR-TRE-e82e6c98-98
0.368
MAR-TRE-e82e6c98-94
0.360
MAR-TRE-c317dd82-9
0.344
MAR-TRE-c317dd82-30
0.337
MAR-TRE-66ac689e-96
0.330
MAR-TRE-a9136c7b-44
0.323
MAR-TRE-be9ff7d2-44
0.319
MAR-TRE-e82e6c98-17
0.317
MAR-TRE-92684b97-61
0.316
MAR-TRE-e82e6c98-59
0.310
MAR-TRE-c317dd82-93
0.309
MAR-TRE-92684b97-38
0.305
MAR-TRE-8190bb11-79
0.303
MAR-TRE-c317dd82-54
0.302
MAR-TRE-a9136c7b-72
0.300
MAR-TRE-c317dd82-64
0.300
MAR-TRE-c317dd82-99
0.299
MAR-TRE-66ac689e-60
0.298
MAR-TRE-c317dd82-83
0.298
MAR-TRE-c317dd82-61
0.297
MAR-TRE-c317dd82-57
0.296
MAR-TRE-be9ff7d2-94
0.293
MAR-TRE-be9ff7d2-87
0.292
MAR-TRE-9d18ae8c-23
0.291
MAR-TRE-92684b97-79
0.290
MAR-TRE-c317dd82-15
0.287
MAR-TRE-be9ff7d2-27
0.287
MAR-TRE-be9ff7d2-55
0.284
MAR-TRE-c317dd82-72
0.284
MAR-TRE-e82e6c98-73
0.282
MAR-TRE-be9ff7d2-71
0.282
MAR-TRE-799db12b-70
0.280
MAR-TRE-be9ff7d2-38
0.274
MAR-TRE-8190bb11-61
0.274
MAR-TRE-e82e6c98-10
0.272
MAR-TRE-4f781e27-38
0.272
MAR-TRE-c317dd82-98
0.269
MAR-TRE-c317dd82-89
0.267
MAR-TRE-be9ff7d2-35
0.265
MAR-TRE-c317dd82-85
0.264
MAR-TRE-4f781e27-65
0.262
MAR-TRE-9d18ae8c-38
0.262
MAR-TRE-799db12b-65
0.262
MAR-TRE-c317dd82-2
0.262
MAR-TRE-be9ff7d2-25
0.258
MAR-TRE-c317dd82-73
0.255
MAR-TRE-66ac689e-43
0.255
MAR-TRE-66ac689e-66
0.255
MAR-TRE-c317dd82-6
0.255
MAR-TRE-e82e6c98-30
0.253
MAR-TRE-be9ff7d2-42
0.253
MAR-TRE-e82e6c98-48
0.253
MAR-TRE-799db12b-89
0.252
MAR-TRE-be9ff7d2-14
0.252
MAR-TRE-e82e6c98-61
0.252
MAR-TRE-e82e6c98-8
0.252
MAR-TRE-799db12b-13
0.252
MAR-TRE-c317dd82-50
0.250
MAR-TRE-c317dd82-71
0.250
MAR-TRE-be9ff7d2-19
0.250
MAR-TRE-be9ff7d2-88
0.250
MAR-TRE-4f781e27-41
0.250
MAR-TRE-9d18ae8c-90
0.250
MAR-TRE-be9ff7d2-59
0.250
MAR-TRE-66ac689e-61
0.250
MAR-TRE-c317dd82-21
0.250
MAR-TRE-e82e6c98-2
0.250
MAR-TRE-e82e6c98-24
0.248
MAR-TRE-a9136c7b-85
0.248
MAR-TRE-c317dd82-14
0.248
MAR-TRE-c317dd82-97
0.248
MAR-TRE-8190bb11-43
0.248
MAR-TRE-be9ff7d2-60
0.248
MAR-TRE-8190bb11-56
0.248
MAR-TRE-4f781e27-90
0.248
MAR-TRE-e82e6c98-72
0.247
MAR-TRE-9d18ae8c-32
0.245
MAR-TRE-be9ff7d2-51
0.245
MAR-TRE-a9136c7b-57
0.245
MAR-TRE-799db12b-34
0.245
MAR-TRE-8190bb11-39
0.245
MAR-TRE-c317dd82-77
0.245
MAR-TRE-4f781e27-63
0.245
MAR-TRE-9d18ae8c-64
0.245
MAR-TRE-a9136c7b-83
0.243
MAR-TRE-c317dd82-78
0.243
MAR-TRE-e82e6c98-82
0.243
MAR-TRE-a9136c7b-17
0.243
MAR-TRE-a9136c7b-99
0.243
MAR-TRE-799db12b-62
0.243
MAR-TRE-be9ff7d2-50
0.243
MAR-TRE-799db12b-23
0.242
MAR-TRE-9d18ae8c-88
0.242
MAR-TRE-c317dd82-46
0.242
MAR-TRE-c317dd82-82
0.242
MAR-TRE-799db12b-95
0.242
MAR-TRE-8190bb11-91
0.242
MAR-TRE-e82e6c98-32
0.241
MAR-TRE-a9136c7b-76
0.241